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[2-oxidanylidene-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] 4-nitrooxybutanoate

[2-oxidanylidene-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] 4-nitrooxybutanoate

Systemtic Name:[2-oxidanylidene-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] 4-nitrooxybutanoate
Openeye Name:[2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] 4-nitrooxybutanoate
CAS Name:4-nitrooxybutanoic acid [2-oxo-2-[3-[3-(1-piperidinylmethyl)phenoxy]propylamino]ethyl] ester
IUPAC Name:[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] 4-nitrooxybutanoate
Traditional Name:4-nitrooxybutyric acid [2-keto-2-[3-[3-(piperidinomethyl)phenoxy]propylamino]ethyl] ester
Formula: C21H31N3O7
MolecularWeight: 437.48674
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)COC(=O)CCCO[N+](=O)[O-]


Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)COC(=O)CCCO[N+](=O)[O-]


InChI

InChI=1S/C21H31N3O7/c25-20(17-30-21(26)9-5-14-31-24(27)28)22-10-6-13-29-19-8-4-7-18(15-19)16-23-11-2-1-3-12-23/h4,7-8,15H,1-3,5-6,9-14,16-17H2,(H,22,25)


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